|
| |
Unfortunately, due to non-disclosure agreements between
companies and some users, not all models and white-papers can be listed here.
Click on the Homework
button on the left side to see some sample homework problems
with Kintecus.
Degradation of Tertiary Alkylamines during
Chlorination/Chloramination: Implications for Formation of Aldehydes, Nitriles,
Halonitroalkanes, and Nitrosamines
Mitch, W. A.; Schreiber, I. M.
Environ. Sci. Technol.; (Article); 2008;
42(13); 4811-4817. DOI: 10.1021/es703017z
Manganous Phosphate Acts as a Superoxide Dismutase
Barnese, K.; Gralla, E. B.; Cabelli, D. E.; Selverstone Valentine, J.
J. Am. Chem. Soc.; (Communication);
2008; 130(14);
4604-4606. DOI: 10.1021/ja710162n
Direct Measurement of the Rate of Interconversion of
Zirconaaziridine Enantiomers
Cummings, S. A.; Tunge, J. A.; Norton, J. R.
J. Am. Chem. Soc.; (Article);
2008; 130(14);
4669-4679. DOI: 10.1021/ja0757935
Effect of divalent cations on the kinetics of Fe(III)
complexation by organic ligands in natural waters
Manabu Fujii,Andrew L.Rose,T.David Waite,Tatsuo Omura
Geochimica et Cosmochimica Acta 72 (2008)1335
.1349
Abiotic Degradation of
Hexahydro-1,3,5-trinitro-1,3,5-triazine in the Presence of Hydrogen Sulfide and Black
Carbon
Kemper, J. M.; Ammar, E.; Mitch, W. A.
Environ. Sci. Technol.; (Article); 2008;
42(6); 2118-2123.
ATR reforming of tetradecane (C14 H30 ): A mechanistic approach
Lucas Dorazio, Marco J. Castaldi *
Earth & Environmental Engineering Department (HKSM), Columbia University,
Catalysis Today, 2008
Kinetics Feasibility Study of Alcohol Sulfate
Esterification Reactions in Tropospheric Aerosols
Minerath, E. C.; Casale, M. T.; Elrod, M. J.
Environ. Sci. Technol.; 2008;
42(12); 4410-4415. DOI: 10.1021/es8004333
On the Mechanism of Peripentacene Formation from
Pentacene: Computational Studies of a Prototype for
Graphene Formation from Smaller Acenes
Brian H. Northrop, Joseph E. Norton, and K. N. Houk*
Contribution from the Department of Chemistry and Biochemistry, UniVersity of California,
Los Angeles, California 90095
J. AM. CHEM. SOC. 2007, 129, 6536-6546
From Azobenzene Coordination to Aryl-Halide Bond
Activation by Platinum
Olena Zenkina, † Marc Altman, † Gregory Leitus, ‡ Linda J. W. Shimon,
‡ Revital Cohen, ‡ and Milko E. van der Boom* ,†
Departments of Organic Chemistry and Chemical Research Support, Weizmann Institute of
Science, 76100 RehoVot, Israel
Organometallics 2007, 26, 4528-4534
Kinetics and mechanism of the reactions of CH3CO and
CH3C(O)CH2 radicals with O2. Low-pressure discharge flow experiments and quantum chemical
computations
Gergely Kovács, Judit Zádor, Edit Farkas, Rebeka Nádasdi, István Szilágyi, Sándor
Dóbé, Tibor Bérces, Ferenc Márta and György Lendvay
Phys. Chem. Chem. Phys., 2007, 9, 4142 - 4154, DOI: 10.1039/b706216h
A QUANTITATIVE EVALUATION OF THE IRON-SULFUR WORLD AND
ITS RELEVANCE TO LIFE’S ORIGINS
David S. Ross (retired)
Affiliation: U.S. Geological Survey, Menlo Park, CA 94303, 149 Walter Hays Dr.
Palo Alto, CA 94303
Astrobiology, 2007
Enhanced Nitrogenous Disinfection ByProduct Formation
near the Breakpoint: Implications for Nitrification Control
Schreiber, I. M.; Mitch, W. A.
Environ. Sci. Technol.; (Article); 2007; 41(20); 7039-7046.
Nitrile, Aldehyde, and Halonitroalkane Formation during
Chlorination/Chloramination of Primary Amines
S U N G H E E J O O A N D W I L L I A M A . M I T C H *
Department of Chemical Engineering, Yale University, Mason Lab 313b, 9 Hillhouse Avenue,
New Haven, Connecticut 06520
Environ. Sci. Technol. 2007, 41, 1288-1296
(Kintecus is unfortunately referenced in the Supporting Information document)
Kinetic Modeling of the Oxidation of p-Hydroxybenzoic Acid
by Fenton’s
Reagent: Implications of the Role of Quinones in the Redox Cycling of Iron
C H R I S T O P H E R K . D U E S T E R B E R G A N D
T . D A V I D W A I T E *
School of Civil and Environmental Engineering, The University of New South Wales, Sydney,
NSW 2052, Australia
Environ. Sci. Technol. 2007, 41, 4103-4110
(Kintecus is unfortunately referenced in the Supporting Information document
along with some detailed NSC and statisical analysis )
Kinetics of hydroxide-catalyzed methanolysis of crude
sunflower oil for the production of fuel-grade methyl esters
Manolito E. Bambase, Jr.,1 Nobuyuki Nakamura,2 Junko Tanaka,2 and Masatoshi Matsumura 1 *
1 University of Tsukuba, Ibaraki, Japan
2 Sun Care Fuel Corporation, University of Tsukuba, Ibaraki, Japan
J Chem Technol Biotechnol 82:273–280 (2007)
Modelling of the pyrolysis of high density polyethylene
Product distribution in a fluidized bed reactor
J.F. Mastral, C. Berrueco * , J. Ceamanos
Department of Chemical and Environmental Engineering, C.P.S., University of Zaragoza,
Mari´a de Luna 3, 50018 Zaragoza, Spain
J. Anal. Appl. Pyrolysis 79 (2007) 313–322
KINETIC MODELS OF C1 –C4 ALKANE OXIDATION AS APPLIED
TO PROCESSING OF HYDROCARBON GASES: PRINCIPLES, APPROACHES AND DEVELOPMENTS
Mikhail Sinev, Vladimir Arutyunov and Andrey Romanets
Laboratory of Heterogeneous Catalysis, Semenov Institute of Chemical Physics, Moscow,
Russia, Laboratory of Hydrocarbon Oxidation, Semenov Institute of Chemical Physics,
Moscow,
Russia, Russian Research Center Kurchatov Institute, Moscow, Russia
Advances in Chemical Engineering,vol.32, 2007
Enhanced
oxidation of NAD(P)H by oxidants in the presence of dehydrogenases but no evidence for a
superoxide-propagated chain oxidation of the bound coenzymes
FRANK PETRAT, THORSTEN BRAMEY, MICHAEL KIRSCH, UTA KERKWEG, HERBERT DE GROOT
Institut fu¨ r Physiologische Chemie, Universita¨tsklinikum, Hufelandstr. 55, D-45122,
Essen Germany
Free Radical Research - 2006
Factors Affecting the
Apparent Chain Transfer Rate Constants of Chromium Metalloradicals: Mechanistic
Implications
Lihao Tang and Jack R. Norton*
Department of Chemistry, Columbia UniVersity, 3000 Broadway, New York, New York 10027
Macromolecules - 2006
Thermal decomposition
of ammonia. N2H4 - an intermediate reaction product
Daniela Dirtu, Lucia Odochian, Aurel Pui, Ionel Humelnicu
Central European Journal of Chemistry - 2006
Kinetics of internalization and degradation of N-type
voltage-gated calcium channels: Role of the alpha2/gamma subunit
Geula M. Bernstein a,b, Owen T. Jones
Cell Calcium - 2006
Reaction Mechanism and Kinetic Modeling of DEET
Degradation by Flow-Through Anodic Fenton Treatment (FAFT)
H U I C H U N Z H A N G -A N D A N N T . L E M L E Y *
Graduate Field of Environmental Toxicology, TXA, MVR Hall,
Cornell University, Ithaca, New York 14853-4401
Environ. Sci. Technol. 2006, 40, 4488-4494 - 2006
Anomalous oxygen isotope enrichment in CO2 produced from
O+CO: Estimates based on experimental results and model predictions
Antra Pandey and S. K. Bhattacharyaa
Physical Research Laboratory, Navrangpura, Ahmedabad 380 009, India
THE JOURNAL OF CHEMICAL PHYSICS (JCP) 124, 234301 - 2006
Oxyhalogen-sulfur
chemistry — Kinetics and mechanism of the oxidation of cysteamine by acidic iodate
and iodine
Alice Chanakira, Edward
Chikwana, David H. Peyton, and Reuben H. Simoyi
Can. J. Chem. 84: 49–57 (2006)
Nitrosamine Formation Pathway Revisited: The Importance
of Chloramine Speciation and Dissolved Oxygen
I . M A R I E S C H R E I B E R A N D - W I L L I A M A . M I T C H *
Department of Chemical Engineering, Yale University, Mason
Environ. Sci. Technol. - 2006
Oxyhalogen-Sulfur
Chemistry: Kinetics and Mechanism of Oxidation of N-Acetylthiourea by Chlorite and
Chlorine Dioxide
Olufunke Olagunju, †,‡ Paul D. Siegel, ‡ Rotimi
Olojo, † and Reuben H. Simoyi*
Department of Chemistry, Portland State UniVersity, Portland, Oregon
J. Phys. Chem. A , 110, 2396-2410, - 2006
ß-Scission Reactions Confound Kinetic Studies of Bimolecular Reactions of Cyclic
Alkoxy Radicals
Theodore S. Dibble and Lei Zhang
Chemistry Department,
SUNY-Environmental Science and Forestry, Syracuse, NY 13210 - 2006
Plasma Enhanced Chemical Vapor Deposition of
Cubic Boron Nitride - 2005
Contact: J. Matheis, D. Sapounas, A. Lunk
Institut fur Plasmaforschung
Prof. Dr. Ulrich Stroth
Universitat Stuttgart, Germany
Relative Conversion of Lower
Alkanes in Their Simultaneous Partial Gas-Phase Oxidation
V. S. Arutyunov*, V. M. Rudakov**, V. I. Savchenko**, and
E. V. Sheverdenkin**
* Semenov Institute of Chemical Physics, Russian Academy of
Sciences, ul. Kosygina 4, Moscow, 119991 Russia
** Institute of Problems of Chemical Physics, Russian Academy of Sciences,
Chernogolovka, Moscow oblast, 142432 Russia
Theoretical Foundations of Chemical Engineering, Vol. 39, No. 5, pp. 487–492,
- 2005 .
"Product formation and kinetic
simulations in the pH range 1 -14 account for a free-radical mechanism of peroxynitrite
decomposition"
Archives of Biochemistry and Biophysics 418
(2003)133 ·50
Michael Kirsch, Hans-Gert Korth, Angela Wensing,
Reiner Sustmann,and Herbert de Groot
free-radical
mechanism of peroxynitrite (300 Kb)
"The Autoxidation of
Tetrahydrobiopterin Revisited. Proof of Superoxide Formation from
Reaction of Tetrahydrobiopterin with Molecular Oxygen" - J. Bio. Chem.
Michael Kirsch Ą*,Hans-Gert Korth # ,Verena Stenert # ,Reiner
Sustmann # ,and Herbert de Groot Ą
The Autoxidation
of Tetrahydrobiopterin Revisited. (800 KB)
The OH-Initiated Oxidation of 1,3-Butadiene in the
Presence of O2 and NO: A Photolytic
Route To Study Isomeric Selective Reactivity
Erin E. Greenwald, † Jiho Park, †
Katie C. Anderson, † Hahkjoon
Kim, † B. Jesse E. Reich, †
Stephen A. Miller, † Renyi Zhang, ‡
and Simon W. North* ,†
Department of Chemistry, Texas
A&M UniVersity, P.O. Box 30012, College Station,
Texas 77842, and
Department of Atmospheric Sciences, Texas A&M UniVersity, College
Station, Texas 77842
JPhysChem-A - 2005
The yield and isotopic composition of
radiolytic H 2 , a
potential energy source for the deep
subsurface biosphere
LI-HUNG LIN,1, * † GREG F. SLATER,2,3 BARBARA SHERWOOD
LOLLAR,2 GEORGES LACRAMPE-COULOUME,2 and T. C. ONSTOTT 1
1 Department of Geosciences, Princeton
University, Princeton, NJ, USA
2 Stable Isotope Laboratory, Department of Geology, University of Toronto, Toronto, ON,
Canada
3 Woods Hole Oceanographic Institute, Woods Hole, MA, USA
Geochimica et Cosmochimica Acta, Vol.
69, No. 4, pp. 893–903, 2005
Measurement
of Reactive Mixing of Liquids with Combined PIV and Reactive PLIF Methodology
C.W. Lipp, P. A. Gillis, R. D. Spradling, K. Tsai,
DOW CHEMICAL
and
L. A. Melton
Department of Chemistry
University of Texas at Dallas
A three-dimensional perspective
on exon binding by a group II self-splicing intron (see page
5012)
Maria Costa
Center for Molecular Biology of RNA
Sinsheimer Laboratories
University of California at Santa Cruz
Santa Cruz, CA 95064
Francois Michel
Centre de Genetique Moleculaire du CNRS
91190 Gif-sur-Yvette
France
Eric Westhof
Institut de Biologie Moleculaire et Cellulaire du CNRS
15 rue Rene Descartes
67085 Strasbourg
France
Initiation
of a superoxide-dependent chain oxidation of lactate dehydrogenase-bound NADH by oxidants
of low and high reactivity
Frank Petrat , Thorsten Bramey , Michael Kirsch , Herbert De Groot
Institut für Physiologische Chemie, Universitätsklinikum, Hufelandstr. 55,
D-45122, Essen, Germany
Free Radical Research, DOI: 10.1080/10715760500231786 - 2005
Measurements of the
Kinetics of the OH-Initiated Oxidation of ß -Pinene:
Radical Propagation in the OH ß -Pinene +O2 +NO Reaction System
MAXINE E. DAVIS, CRAIG TAPSCOTT, PHILIP S. STEVENS
Int. J. Chem. Kin. - 2005
Parameter screening
for the chemical vapour deposition of BN films in the system B-N-H-F
• Jens Matheis, Dimitrios Sa-pounas, and Achim Lunk
Institute for Plasma Research, University
of Stuttgart, Pfaffenwaldring 31, 70569 Stuttgart, Germany
Analysis on reaction mechanism and influence
factors of emission in the CH4-air premixing combustion
Li, Gong; Gao, Tai-Yin; Chen, Zhong-Zhou; Hu, Zong-Jie; Deng, Jun; Yu, Shui
School of Mechanical and Power Engineering, Shanghai Jiaotong University, Shanghai 200030,
China
Ranshao Kexue Yu Jishu/Journal of Combustion Science and Technology
Vol. 11(2), April 2005, p 142-148, Lang. Chinese
Hythec
: a search for a long term massive hydrogen production route
Alain LE DUIGOU, Jean-Marc BORGARD, Bruno LAROUSSE, Denis DOIZI,
Catherine EYSSERIC - Commissariat ŕ l’Energie Atomique (CEA – F) (i)
Ray ALLEN, Bruce C. EWAN, Geoff H PRIESTMAN, Rachael ELDER - (ii)
Giovanni CERRI, Coriolano SALVINI, Ambra GIOVANNELLI, Giovanni DE MARIA (iii)
Martin ROEB, Nathalie MONNERIE, Mark SCHMITZ, Christian SATTLER-
Deutsches Zentrum für Luft und Raumfahrt (DLR – D) (iv)
Arturo BUENAVENTURA, Daniel De LORENZO - Empresarios Agrupados (EA – SP) (v)
Stephane DECHELOTTE, Olivier BAUDOUIN - PROSIM (F) (vi)
Proceedings International Hydrogen Energy Congress and Exhibition IHEC 2005
Istanbul, Turkey, 13-15 July 2005
(i) Department of Physico Chemistry – Commissariat ŕ l’Energie Atomique /
Saclay – FRANCE
(ii) The University of Sheffield - Firth Court, Western Bank - S102TN Sheffield, UNITED KINGDOM
(iii) Universitŕ degli Studi ROMA TRE - Via della Vasca Navale 79 – 00146 Roma
– ITALY
(iv) Deutsches Zentrum für Luft-und Raumfahrt e.V. - Linder Höhe – 51147 Köln
– GERMANY
(v) Empresarios Agrupados Internacional, S.A. – Magallanes 3 – 28015 Madrid
– SPAIN
(vi) ProSim SA – Stratčge Bâtiment A – F-31312 Labčge - FRANCE
Microhollow
Cathode Discharge Reactor Chemistry
Plasma Chemistry and Plasma Processing, March 2005
David D. Hsu and David B. Graves
Department of Chemical Engineering
University of California at Berkeley
(they incorrectly reference the name of Kineticus instead of Kintecus
in this paper)
Dodecane
Decomposition in a Radio-Frequency (RF) Plasma Reactor
International Journal of Chemical Reactor
Engineering
Volume 3 - 2005
- Article A4
Laura Merlo-Sosa and Gervais Soucy†
University of Sherbrooke, Canada
A comparison of the
Bader–Deuflhard and the Cash–Karp Runge–Kutta integrators for the GRI-MECH
3.0 model based on the chemical kinetics code Kintecus
2003
MIT Conference Computational Fluid and Solid Mechanics
An ab initio and kinetic
study of dimer sulfuric acid hydrates in THEOCHEM:
Dimer_Sulfuric_Acid (800 KB)
Fenton-Mediated
Oxidation in the Presence and Absence of Oxygen
ENVIRON. SCI. & TECHNOL. - 2005
C H R I S T O P H E R K . D U E S T E
R B E R G, W I L L I A M J . C O O P E R , ‡ A N D T . D A V I D W A I T E *
,†
Oxyhalogen –sulfur
chemistry:kinetics and mechanism of oxidation
of formamidine disulfide by acidic bromate (175KB) - PCCP
Nicholas Madhiri, Rotimi
Olojo and Reuben H.Simoyi
Department of Chemistry,Portland State
University,Portland, OR 97207-0751,USA
Measurements
of the kinetics of the OH-initiated oxidation of
a pinene:Radical propagation in the OH+a
pinene+O2 +NO
reaction system
Atmospheric Environment 39 ( 2005 ) 1765 ·774
Maxine E.Davis,Philip S.Stevens
Thermal decomposition reaction
mechanism of ammonia II.
Odochian, Lucia; Dumitras, Nihai; Dirtu,
Daniela. Fac. de Chim. Univ. "Al. I. Cuza", Iasi, Rom.
Revista de Chimie (Bucharest, Romania)
(2005), 56(5), 485-489.
Laser-Induced Fluorescence Spectra of
4-Methylcyclohexoxy Radical and Perdeuterated
Cyclohexoxy Radical and Direct
Kinetic Studies of Their Reactions with O2
JPhysChem-A - 2005
Lei Zhang, † Karen M. Callahan, ‡ Dean Derbyshire, § and
Theodore S. Dibble*
Oxyhalogen-Sulfur Chemistry: Kinetics and Mechanism of Oxidation of Guanylthiourea
JPhysChem-A - J. Phys. Chem. A 2004, 108, 11591-11599
Edward Chikwana, Adenike Otoikhian,
and Reuben H. Simoyi*
Kinetics and Products of the
Self-Reaction of Propargyl Radicals (140 kb)
JPhysChem-A - J. Phys. Chem. A 2003,
107, 8893-8903
Eugene V. Shafir, Irene R. Slagle, and Vadim D.
Knyazev
OH/OD Initiated Oxidation of Isoprene
in the Presence of O2 and NO (400k)
JPhysChem-A J. Phys. Chem. A 2004, 108, 10688-10697
Jiho Park, † Candice G. Jongsma, † Renyi Zhang, ‡ and
Simon W. North* ,†
The Combustion of SiCl4 in
Hot O2/H2 Flames (170KB)
Hanau, Industriepark Wolfgang GmbH* and
Business Unit Aerosil .and Silanes a of Degussa AG
Z. Anorg. Allg.
Chem. 2003, 629,
14851490
Bernd Hannebauer* and Frank Menzel - Degussa AG
|
